SCHEMBL9506291

SCHEMBL9506291

COc1ccc(C)c2c1C(=O)OC2=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLL Q9UGP5 1/20 0.49
MAPT P10636 7/20 0.47
ALDH1A1 P00352 7/20 0.47
KDM4E B2RXH2 6/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
USP2 O75604 1/20 0.47
DUSP3 P51452 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
RAB9A P51151 4/20 0.44
HPGD P15428 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPK1 P28482 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
HTT P42858 2/20 0.44
S1PR4 O95977 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8996379 0.89 KDM4E (0.56) POLLMAPTALDH1A1KDM4EMEN1
SCHEMBL30366428 0.82 NQO1 (0.41) ALDH1A1KDM4ETDP1RAB9ASMN1; SMN2
SCHEMBL1886099 0.82 NQO1 (0.41) ALDH1A1KDM4ETDP1RAB9ASMN1; SMN2
SCHEMBL13475464 0.78 KDM4E (0.46) POLLMAPTALDH1A1KDM4EMEN1
SCHEMBL1829004 0.78 KDM4E (0.50) POLLMAPTALDH1A1KDM4EMEN1
SCHEMBL7477968 0.78 KDM4E (0.52) POLLMAPTALDH1A1KDM4EMEN1
SCHEMBL11690019 0.77 MAPT (0.59) POLLMAPTALDH1A1KDM4EMEN1
SCHEMBL11727296 0.74 L3MBTL1 (0.49) MAPTALDH1A1KDM4ETDP1SMN1; SMN2
SCHEMBL6901121 0.73 MAPT (0.81) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL9621313 0.73 ALDH1A1 (0.51) MAPTALDH1A1KDM4EMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0276436-B1 PHOSPHINIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1993-06-16 EP disclosed
US-5006651-A Rheumatic diseases, bone disorders HOFFMAN-LA ROCHE INC. (US) 1991-04-09 US disclosed
US-4885283-A Phosphinic acid derivatives HOFFMANN-LA ROCHE INC. (US) 1989-12-05 US disclosed
EP-0276436-A1 Phosphinic acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1988-08-03 EP disclosed